Abstract: Aiming at researching friction process on the influence of train rolling contact properties between the wheel and rail,using the basic principle of Molecular Dynamics Simulation and Embedded Atomic Method theory,study the areas of adhesion within the contact patch area will gradually increase along with the occurrence of the friction process,research the increase process about the areas of adhesion within the contact patch area by means of Molecular Dynamics simulation model and simulation algorithm.For the study of friction on the surface about changes and micro-dynamic behavior,understanding the influence of the friction process on the train rolling contact characteristics,provides a numerical simulation based on microscopic approaches and methods.The results show that the method is easy to achieve a large time scale,a large number of atoms of the dynamic simulation.

Abstract: The work in the optimization of the simulation of nanoindentation based on the molecular dynamics was mainly introduced in this paper. One optimization method, freeze atoms method was proposed according to the characteristics of nanoindentation process itself, then did the simulation calculation through the use of freeze atoms method and the traditional calculation method, It was found that the difference between simulation results and experimental results of hardness decreased gradually with enlarge the scale of molecular dynamics simulation (with increase of the indentation depth), from 32.39% of 5nm decreased to 14.6% of 25nm. By comparison, it was found that the optimized algorithm could improve the efficiency of simulation in large-scale molecular dynamics simulation., confirmed the correctness and effectiveness of freeze atoms method.

Abstract: Based on the field research, we found that in the course of high-speed face milling aluminum, Cutters components prone to deformation as the role of load such as Centrifugal force, Cutting force and Preload. The deformation will directly affect the the dynamic performance of the cutter. So its necessary to reveal the dynamic response of the deformation cutter. We base on the Dynamic model and the modal analysis model, Obtained the deformation cutters dynamic simulation which the cutters deformation is come from the ANSYS. At last we got the method of identifying cutters deflection deformation by vibration signal. With the method we can effectively identifying milling distortion In the cutting process.

Abstract: t was summarized the simulate of materials and application of molecular dynamics, it expounded the molecular dynamics to solve the problem of the basic idea, principle, modeling methods and its simulating methods, and discussed the typical organization performance control technology, the development for simulation aspects and its problems existing. Especially focused on the molecular dynamics system its dynamic simulation in materials microscopic-sized, attached the application of macro characteristics and micro structure. Through the research and analysis, it gave the main application direction in solving steel organization performance control by the method of molecular dynamics, faced with the problem and its future development trend.

Abstract: The heat capacity for anisotropy of high temperature superconducting material is hard to calculate. This paper analyze the structure characteristics of Bi superconducting material , build polymolecular Bi-2223 system, simulate the specific heat of the Bi system high temperature superconducting material based on the molecular dynamics method. And then obtain the material parameters of the specific heat of the Bi - 2223 range of 20~40K.